CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	83.68	41.80	kJ mol^-1	JANAF	uwave spect. Yamada JCP 90, 3033, 1989.
Hfg(0K)	85.04	41.80	kJ mol^-1	JANAF	uwave spect. Yamada JCP 90, 3033, 1989.
Entropy (298.15K)	229.13		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	9.43		kJ mol^-1	JANAF
Heat Capacity (298.15K)	35.11		J K^-1 mol^-1	JANAF	uwave spect. Yamada JCP 90, 3033, 1989. Cp from Webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ		492	1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rONa	2.052	0.000	1	2			1989Yam/Fuj:3033-3037

Atom	x (Å)	y (Å)	z (Å)
Na1	0.0000	0.0000	0.0000
O2	0.0000	0.0000	2.0515

	Na1	O2
Na1		2.0515
O2	2.0515

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Experimental > One molecule all properties

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	²Σ	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
1989YAM/FUJ	Yamada, C.; Masaharu, F.; Hirota, E., Detection of the Nao radical by microwave spectroscopy, J. Chem. Phys. 90, 3033, 1989	10.1063/1.455905
1989Yam/Fuj:3033-3037	C Yamada, M Fujitake, E Hirota "Detection of the NaO radical by microwave spectroscopy" J. Chem. Phys. 90, 3033 (1989)	10.1063/1.455905
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for NaO (sodium monoxide)